Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@]1(OCCc2cn[nH]c2)CCOc2ccc(Cl)cc21 |
MW: | 448.13 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 89.13 |
cLogP: | 4.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-02-28 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
CHO-MSK-5891c1ff-12
1.000
EDG-MED-4c68219f-10
0.811
ED_-GRI-5b13fbe2-53
0.800
EDJ-MED-28ec730d-4
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PET-UNK-83d689b6-4
0.777
ED_-GRI-5b13fbe2-72
0.773
RAL-THA-58fba2bc-4
0.773
PET-UNK-824b5c6a-2
0.765
PET-UNK-3bb57da2-3
0.765
PET-UNK-83d689b6-3
0.757
ED_-GRI-5b13fbe2-30
0.752
ED_-GRI-5b13fbe2-25
0.750
EDG-MED-4c68219f-16
0.750
PET-UNK-0cc03aae-5
0.743
MIC-UNK-ddc6ad53-3
0.743
PET-UNK-5d7c542f-4
0.743
ED_-GRI-5b13fbe2-56
0.738
PET-UNK-0cc03aae-1
0.735
PET-UNK-4880b143-1
0.735
PET-UNK-49566573-1
0.735
PET-UNK-824b5c6a-1
0.735
ED_-GRI-5b13fbe2-59
0.731
ED_-GRI-5b13fbe2-33
0.731
PET-UNK-83d689b6-2
0.729
MIC-UNK-ddc6ad53-2
0.728
PET-UNK-e5587e5d-1
0.728
PET-UNK-3bb57da2-1
0.723
PET-UNK-5d7c542f-3
0.721
EDG-MED-4c68219f-12
0.720
MIC-UNK-ddc6ad53-1
0.720
EDG-MED-4c68219f-6
0.720
RAL-THA-58fba2bc-2
0.720
ED_-GRI-5b13fbe2-19
0.720
ED_-GRI-5b13fbe2-29
0.714
PET-UNK-0cc03aae-2
0.714
PET-UNK-0cc03aae-3
0.714
ED_-GRI-5b13fbe2-48
0.714
PET-UNK-3bb57da2-4
0.714
PET-UNK-3bb57da2-2
0.709
PET-UNK-49566573-2
0.708
MIC-UNK-5d22d78d-1
0.706
MIC-UNK-5d22d78d-3
0.702
PET-UNK-0cc03aae-4
0.701
PET-UNK-5d7c542f-5
0.701
ED_-GRI-5b13fbe2-40
0.699
ED_-GRI-5b13fbe2-41
0.699
ED_-GRI-5b13fbe2-68
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CHO-MSK-5891c1ff-3
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ED_-GRI-5b13fbe2-8
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ED_-GRI-5b13fbe2-1
0.694
ED_-GRI-5b13fbe2-12
0.694
PET-UNK-acd70dee-1
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PET-UNK-acd70dee-5
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ED_-GRI-5b13fbe2-62
0.691
PET-UNK-d9de6a0b-2
0.689
ED_-GRI-5b13fbe2-42
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ED_-GRI-5b13fbe2-69
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ED_-GRI-5b13fbe2-70
0.686
ED_-GRI-5b13fbe2-43
0.686
ED_-GRI-5b13fbe2-71
0.686
MIC-UNK-5d22d78d-2
0.686
PET-UNK-d9de6a0b-1
0.686
ED_-GRI-5b13fbe2-14
0.685
ED_-GRI-5b13fbe2-57
0.685
ED_-GRI-5b13fbe2-15
0.685
EDG-MED-4c68219f-15
0.682
PET-UNK-83d689b6-1
0.682
MIC-UNK-5d22d78d-4
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ED_-GRI-5b13fbe2-47
0.679
EDG-MED-4c68219f-7
0.679
CHO-MSK-5891c1ff-9
0.679
CHO-MSK-5891c1ff-6
0.679
CHO-MSK-5891c1ff-8
0.676
PET-UNK-acd70dee-3
0.673
PET-UNK-acd70dee-4
0.673
CHO-MSK-5891c1ff-11
0.673
ED_-GRI-5b13fbe2-39
0.670
PET-UNK-acd70dee-6
0.670
ED_-GRI-5b13fbe2-11
0.670
ED_-GRI-5b13fbe2-73
0.667
PET-UNK-acd70dee-2
0.667
EDG-MED-4c68219f-11
0.667
CHO-MSK-5891c1ff-10
0.667
EDG-MED-4c68219f-8
0.664
ED_-GRI-5b13fbe2-13
0.664
EDG-MED-4c68219f-17
0.664
ED_-GRI-5b13fbe2-65
0.661
EDG-MED-4c68219f-2
0.661
EDG-MED-0e5afe9d-3
0.660
EDJ-MED-d08626de-1
0.660
EDJ-MED-d08626de-2
0.660
PET-UNK-29afea89-2
0.660
ED_-GRI-5b13fbe2-34
0.658
ED_-GRI-5b13fbe2-31
0.655
EDG-MED-4c68219f-13
0.655
MIC-UNK-d58dbb53-1
0.655
CHO-MSK-5891c1ff-7
0.652
ED_-GRI-5b13fbe2-27
0.647
ED_-GRI-5b13fbe2-21
0.646
CHO-MSK-5891c1ff-1
0.646